SCHEMBL28612367

SCHEMBL28612367

O=c1cccc2oc3cc(O)ccc3nc1-2.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
ESR1 P03372 11/20 0.46
ESR2 Q92731 11/20 0.46
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
CYP2C9 P11712 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
CYP19A1 P11511 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CA12 O43570 1/20 0.41
AKR1B10 O60218 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3666115 0.81 RAB9A (0.46) APPHPGDALDH1A1MEN1KMT2A
SCHEMBL29631752 0.78 MAPT (0.50) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL306543 0.78 MAPT (0.50) HPGDALDH1A1MEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL10485854 0.76 MAPT (0.49) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL28912628 0.74 APP (0.60) APPHPGDALDH1A1MEN1KMT2A
Perchlorate SCHEMBL11026726 0.73 MAPT (0.43) APPHPGDALDH1A1MEN1KMT2A
Nitric Acid SCHEMBL11293599 0.72 MAPT (0.43) HPGDALDH1A1CYP3A4MEN1KMT2A
SCHEMBL29814693 0.72 APP (0.59) APPESR1ESR2HPGDALDH1A1
SCHEMBL28106136 0.72 MIF (0.56) APPESR1ESR2HPGDALDH1A1
SCHEMBL1095367 0.72 APP (0.97) APPESR1ESR2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556303-B Compound, synthesis method thereof, kit prepared from compound and application of kit in glutathione detection 潍坊医学院 2021-08-20 CN claimed
CN-107556303-B Compound, synthesis method thereof, kit prepared from compound and application of kit in glutathione detection 潍坊医学院 2021-08-20 CN disclosed